Geometry & MOs

Info

ID:	46621
PubChem CID:	10525679
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	4.59
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,6S,7S)-7-hydroxy-4,6-dimethyl-5-oxo-8-phenylmethoxyoct-1-en-3-yl] N-phenylcarbamate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F

DOS

IR

Vibrations